2-tert-butylfuran

CAT: 0926-FT172334-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FT172334-01Size:0.5 g

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CAS Number

7040-43-9

Smiles

CC (C) (C) C1=CC=CO1

Molecular Formula

C8H12O

Molecular Weight

124.18 g/mol

Controlled

Chemical Information

2-tert-Butylfuran

CAS Number	7040-43-9
PubChem CID	138903
IUPAC Name	2-tert-butylfuran
Molecular Formula	C8H12O
Molecular Weight	124.18
XLogP	2.7
Topological Polar Surface Area	13.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	91

SMILES

CC(C)(C)C1=CC=CO1

InChI

InChI=1S/C8H12O/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H3

InChIKey

BGQBONSBNSNYIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7040-43-9

CID: 138903

Formula: C8H12O

MW: 124.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	124.18
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	124.088815002
Monoisotopic Mass	124.088815002
Topological Polar Surface Area	13.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	91.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TAA26107-01	3-tert-Butylfuran-2,5-dione
ZGB26487-01	3- (Aminomethyl) -5-tert-butylfuran-2-carboxylic acid
HBA18098-01	1- (5-tert-Butylfuran-2-yl) ethan-1-one
FCA66648-01	Tert-Butyl 2- (tert-butoxy) acetate
FB66207-01	2-tert-Butylphenazine
FA148170-01	2-tert-Amylanthraquinone
RAA35879-01	2-tert-Butylbenzaldehyde
CEA22910	2-tert-Butyldimethylsilyloxyethanol
FT59848-01	2-tert-Butylaniline
IQA12905-01	2-tert-Butylazepane

Catalog	Name
sc-230670	2-tert-Butylfuran
sc-265506	2-Butylfuran
HY-W723342	2-Butylfuran-d9
TRC-B701654-5MG	Butylfuran-d9
OR92297-01	Tert-Butyl 2- ((tert-butoxycarbonyl) amino) -2-cyanoacetate
262086-01	2-tert-Butylanthraquinone
005298	2-tert-Butyldimethylsilyloxyethanol
JH651938	2-tert-butylhydroquinone
TRC-B809663-100MG	2-tert-Butylindole
sc-225547	2-tert-Butylcyclohexanone